Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.52 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7747066 | 1.00 | TAAR1 (0.58) | TAAR1CHRM5MAPTNPC1RAB9A | |
| SCHEMBL16224316 | 0.88 | CHRM5 (0.60) | TAAR1CHRM5MAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL19434751 | 0.87 | CHRM5 (0.58) | TAAR1CHRM5MAPTNPC1RAB9A | |
| SCHEMBL17560806 | 0.85 | NPC1 (0.65) | TAAR1CHRM5MAPTNPC1RAB9A | |
| SCHEMBL17560805 | 0.85 | NPC1 (0.65) | TAAR1CHRM5MAPTNPC1RAB9A | |
| SCHEMBL7750430 | 0.84 | MAOA (0.50) | MAPTNPC1RAB9ANPSR1KMT2A | |
| SCHEMBL7750425 | 0.84 | MAOA (0.50) | MAPTNPC1RAB9ANPSR1KMT2A | |
| SCHEMBL6742923 | 0.84 | POLB (0.68) | KMT2ALMNAMEN1POLBKDM4E | |
| SCHEMBL20148189 | 0.84 | POLB (0.68) | KMT2ALMNAMEN1POLBKDM4E | |
| SCHEMBL6742928 | 0.84 | POLB (0.68) | KMT2ALMNAMEN1POLBKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | claimed |
| WO-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | disclosed |